Compound Detail
CHEMBL4559193
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4559193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHCXRHXQUGBZJP-VHXPQNKSSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
5.79
ALogP
3
HBA
0
HBD
34.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.89
Ki 2 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.89 | 7.53 | 12.9 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.11 | nM | 9.96 | Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell... | 31302448 |
| Cannabinoid receptor 2 | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell... | 31302448 |
| Cannabinoid receptor 2 | EC50 | = | 12.88 | nM | 7.89 | Agonist activity at N-terminal Flag epitope tagged CB2 (unknown origin) expresse... | 31302448 |
| Cannabinoid receptor 2 | EC50 | = | 68.0 | nM | 7.17 | Agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as ... | 31302448 |
| Cannabinoid receptor 1 | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at N-terminal Flag epitope tagged CB1 (unknown origin) expresse... | 31302448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 2 | 5 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 1 | 4 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine